Merge pull request #63 from brenda-br/Fix-35HEADmaster

Restructure Project and Deployment

1 files changed, 0 insertions, 180 deletions

diff --git a/ComponentSelector.py b/ComponentSelector.py
deleted file mode 100644
index 56c6078..0000000
--- a/ComponentSelector.py
+++ /dev/null
@@ -1,180 +0,0 @@
-from PyQt5.QtCore import *
-from PyQt5.QtWidgets import *
-from PyQt5.QtGui import *
-from PyQt5.uic import loadUiType
-import os, sys
-import pandas as pd
-from Simulator.Databases.Databases import ChemsepDatabase
-ui_dialog,_ = loadUiType('ComponentSelector.ui')
-
-
-#df = pd.read_csv("compoundsDatabase.csv")
-
-compound_selected = [] #list storing components that are selected inintialised as empty
-
-class ComponentSelector(QDialog,ui_dialog):
-    def __init__(self,parent=None):       
-        QDialog.__init__(self,parent)
-
-        self.setupUi(self)
-    
-        self.dict1=dict()#empty dictionary which will store the obj and its compound
-        #self.DB1=#instance of Database class in Database.py module 
-        self.instance=[ChemsepDatabase()]  #list of all the instances
-        self.lines=[]
-        
-        for i in self.instance:
-            x=i.get_comp_name_list()
-            self.dict1[i]=x
-            self.lines+=x
-        #print(self.lines)
-            
-            
-        #self.DB1_list=self.DB1.get_comp_name_list()
-		#storingchemsep
-        #database compound list in DB1_list
-        #self.dict1[self.DB1]=self.DB1_list #storing the list as a value and the db as key in dictionary
-        #self.lines=self.DB1_list #combined list of all the edited compounds        
-       
-        self.model = QStringListModel()
-        self.model.setStringList(self.lines)
-        
-        self.completer = QCompleter()
-        self.completer.setCaseSensitivity(Qt.CaseInsensitive)
-        self.completer.setModel(self.model)
-
-        # QCompleter completes the text written in lineedit
-        self.lineEdit.setCompleter(self.completer)
-        self.compoundSelectButton.clicked.connect(self.compound_selection)
-        self.compoundSelectButton.setAutoDefault(False)
-        self.pushButton.clicked.connect(self.accept)
-        self.pushButton_2.clicked.connect(self.cancel)
-        self.pushButton_3.clicked.connect(self.remove_items)
-        
-    def final_list(self,*list_name):
-        self.list_final=[]
-        #add multiple lists
-        for i in list_name:
-            self.list_final+=i
-        return (self.list_final)
-
-    def is_compound_selected(self):
-        if not compound_selected:
-            return False
-        else:
-            return True        
-  
-  #attrib:
-    #CAS fro CAS Number
-    #CompoundID for Name
-    #Smiles for Molecular Formula
-    #MolecularWeight for Molecular Weight
-
-#the below function will match the entered compound and get the database obj 
-        #of the corresponding database
-        
-    def get_object(self,component):
-        for ele in self.dict1:
-            values=self.dict1[ele]
-            for ind in values:
-                if ind ==component:
-                    return(ele)
-                
-                
-#the below finction removes the before added extra string from the cmpounds 
-    def get_original_name(self,component,removing_attrib):
-        self.temp_comp= component.replace(removing_attrib,'')
-        return(self.temp_comp)
-    
-    def compound_selection(self, *args):
-        if len(args) == 2:
-            self.comp = args[1]     #helpful when loading saved data
-        else:
-            self.comp = self.lineEdit.text()      #gets entered text
-        if self.comp in self.lines: #matches with the db
-            if self.comp not in compound_selected:
-                compound_selected.append(self.comp)  # appending compound in the list
-            self.obj=self.get_object(self.comp)   #obj will store the key of the dictionary
-            #and thus store the instance of the class to which  the component belongs
-            self.removing_attrib='(' + self.obj.name + ')' #getting the attribute that is to be removed
-            self.comp=self.get_original_name(self.comp,self.removing_attrib)
-            #getting only air, water etc from air chemsep etc
-
-            
-            self.prop_list=self.obj.get_comp_prop(self.comp) #getting prop of the comp
-            #obj is the required class  object
-           # self.creating_mo_file()
-            self.final_mo()
-            
-            self.lineEdit.clear()
-            #print(compound_selected)
-            
-            self.CAS=self.obj.get_value(self.comp,'CAS')
-            self.name=self.comp
-            self.molecular_formula=self.obj.get_value(self.comp, 'StructureFormula')
-            self.molecular_weight=self.obj.get_value(self.comp, 'MolecularWeight')
-            
-            dict={'CAS':self.CAS,'Name':self.name,'Molecular Formula':self.molecular_formula,'Molecular Weight':self.molecular_weight}
-            #converted everything to a dictionary which will be passes to addtable 
-            #function as a parameter.
-            #print(dict)
-            self.add_to_table(dict)
-        else:
-            self.show_error()
-
-    @staticmethod
-    def set_compounds(compounds):
-        # compound_selected = compounds
-        for i in compounds:
-            compound_selected.append(i)
-
-    def add_to_table(self,a):
-        try:
-            row_position = self.tableWidget.rowCount()
-            self.tableWidget.insertRow(row_position)
-            self.tableWidget.setItem(row_position , 0, QTableWidgetItem(str(a['CAS'])))
-            self.tableWidget.setItem(row_position , 1, QTableWidgetItem(str(a['Name'])))
-            self.tableWidget.setItem(row_position , 2, QTableWidgetItem(str(a['Molecular Formula'])))
-            self.tableWidget.setItem(row_position , 3, QTableWidgetItem(str(a['Molecular Weight'])))
-        except Exception as e:
-            exc_type, exc_obj, exc_tb = sys.exc_info()
-            fname = os.path.split(exc_tb.tb_frame.f_code.co_filename)[1]
-            #print(exc_type, fname, exc_tb.tb_lineno)
-
-    def add_compounds_to_list(self,comp):       # which list?
-        self.item = QListWidgetItem()
-        self.item.setText(comp)
-        self.listWidget.addItem(self.item)
-
-    def remove_items(self):
-        try:
-            item = self.tableWidget.item(self.tableWidget.currentRow(),1).text() + '(chemsep)'
-            self.tableWidget.removeRow(self.tableWidget.currentRow())
-            compound_selected.remove(item)
-        except Exception as e:
-            print(e)
-
-    def show_error(self):
-        QMessageBox.about(self, 'Important', "Selected Compound is not Available")
-    
-    def cancel(self):
-        compound_selected.clear()
-        self.tableWidget.setRowCount(0)
-        self.reject()
-    
-    def get_compounds(self):
-        return compound_selected
-     
-    def final_mo(self):
-        self.f_mo=open('Simulator/database.mo','w+')
-        self.f_mo.write('package database\n')
-        for line in self.prop_list:
-            self.f_mo.write(line)
-        self.f_mo.write('\n')   
-        self.f_mo.write('\nend database;')
-        self.f_mo.close()
-        
-    def accept(self):
-        #self.parent().container.update_compounds()
-        return super().accept()
-        
\ No newline at end of file